(2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide

C8H20N2O3S — CID 99607332

IUPAC(2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide
SMILESCOC[C@H](C)S(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C8H20N2O3S/c1-7(5-13-4)14(11,12)10-6-8(2,3)9/h7,10H,5-6,9H2,1-4H3/t7-/m0/s1
InChIKeyZRSHWVWITMJNOP-ZETCQYMHSA-N
MW224.33 g/mol
LogP-0.32
Rot. Bonds6

About (2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide

(2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide (PubChem CID 99607332) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is (2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide
PubChem CID99607332
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name(2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide
SMILESCOC[C@H](C)S(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C8H20N2O3S/c1-7(5-13-4)14(11,12)10-6-8(2,3)9/h7,10H,5-6,9H2,1-4H3/t7-/m0/s1
InChIKeyZRSHWVWITMJNOP-ZETCQYMHSA-N
XLogP-0.32
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
(2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide
CID 97317324
N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106079958
N-(2-amino-2-methylpropyl)ethanesulfonamide
CID 115303418
1-cyano-N-(2-hydroxy-4-methoxy-2-methylbutyl)ethanesulfonamide
CID 106252817
N-(2-amino-2-ethylbutyl)propane-2-sulfonamide
CID 115306044
3-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427426
N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide
CID 114142427
1,1-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)methanesulfonamide
CID 103834963
N-(3-amino-2,2-dimethylpropyl)-1-methoxy-N-methylpropane-2-sulfonamide
CID 119991487
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
(1-methoxy-3-methyl-3-methylsulfonylbutan-2-yl)hydrazine
CID 105321743

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide?
The IUPAC name of (2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide (CID 99607332) is (2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide.
What is the SMILES notation for (2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide?
The canonical SMILES for (2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide is COC[C@H](C)S(=O)(=O)NCC(C)(C)N.
What is the InChIKey of (2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide?
The InChIKey is ZRSHWVWITMJNOP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-7(5-13-4)14(11,12)10-6-8(2,3)9/h7,10H,5-6,9H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide?
(2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide has a molecular weight of 224.33 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-amino-2-methylpropyl)-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 99607332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).